2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide

C18H21NO3S2 — CID 18119889

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCCSCc1ccsc1
InChIInChI=1S/C18H21NO3S2/c1-13(20)15-3-4-17(22-2)16(9-15)10-18(21)19-6-8-24-12-14-5-7-23-11-14/h3-5,7,9,11H,6,8,10,12H2,1-2H3,(H,19,21)
InChIKeyUVDNIQRBJHXZLM-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.55
Rot. Bonds9

About 2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 18119889) has the molecular formula C18H21NO3S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
PubChem CID18119889
Molecular FormulaC18H21NO3S2
Molecular Weight363.50 g/mol
Exact Mass363.10
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCCSCc1ccsc1
InChIInChI=1S/C18H21NO3S2/c1-13(20)15-3-4-17(22-2)16(9-15)10-18(21)19-6-8-24-12-14-5-7-23-11-14/h3-5,7,9,11H,6,8,10,12H2,1-2H3,(H,19,21)
InChIKeyUVDNIQRBJHXZLM-UHFFFAOYSA-N
XLogP3.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836
2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
CID 78791662
2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429487
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
CID 18226871
2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide
CID 78789004
2-[2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241942
1-[4-methoxy-3-(propylsulfanylmethyl)phenyl]ethanone
CID 43789572
2-(5-acetyl-2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 31146981
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
CID 24502018
1-[3-(3-hydroxypropylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 66114297

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide (CID 18119889) is 2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide is COc1ccc(C(C)=O)cc1CC(=O)NCCSCc1ccsc1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is UVDNIQRBJHXZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S2/c1-13(20)15-3-4-17(22-2)16(9-15)10-18(21)19-6-8-24-12-14-5-7-23-11-14/h3-5,7,9,11H,6,8,10,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 363.50 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 18119889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).